| SpectraBase Compound ID | CV58fTvZWcB |
|---|---|
| InChI | InChI=1S/C14H15BrN2O/c1-14(2,3)11-6-4-10(5-7-11)13(18)17-9-12(15)8-16-17/h4-9H,1-3H3 |
| InChIKey | PEECLLIXFAZLHR-UHFFFAOYSA-N |
| Mol Weight | 307.19 g/mol |
| Molecular Formula | C14H15BrN2O |
| Exact Mass | 306.036776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Bqerry9VQNL |
|---|---|
| Name | Pyrazole, 4-bromo-1-(4-tert-butylbenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.036776110 u |
| Formula | C14H15BrN2O |
| InChI | InChI=1S/C14H15BrN2O/c1-14(2,3)11-6-4-10(5-7-11)13(18)17-9-12(15)8-16-17/h4-9H,1-3H3 |
| InChIKey | PEECLLIXFAZLHR-UHFFFAOYSA-N |
| Molecular Weight | 307.191 g/mol |
| SMILES | CC(C)(C1=CC=C(C(N2C=C(Br)C=N2)=O)C=C1)C |